AG00DD44

53439-88-6 | 2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-1,3-dimethyl-

AG00DD44

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CAS Number	53439-88-6
Catalog Number	AG00DD44(AGN-PC-0OBW2P)
Chemical Name	2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-1,3-dimethyl-
IUPAC Name	5-amino-1,3-dimethylbenzimidazol-2-one
InChI	InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3
InChI Key	JHKRQZQRGCCWOO-UHFFFAOYSA-N
MDL Number	MFCD00462960
Molecular Formula	C9H11N3O
Molecular Weight	177.2031
SMILES	NC1=CC2=C(N(C(N2C)=O)C)C=C1
Synonyms	5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one, 53439-88-6, 5-Amino-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one, 110274-75-4, 5-amino-1,3-dimethylbenzimidazol-2-one, 5-Amino-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one, 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one, 2H-Benzimidazol-2-one,5-amino-1,3-dihydro-1,3-dimethyl-, hydrochloride (1:1), 5-amino-1,3-dimethyl-3-hydrobenzimidazol-2-one, 2H-benzimidazol-2-one, 5-amino-1,3-dihydro-1,3-dimethyl-, dihydrochloride, AC1LFKZW, AC1Q3XXF, AC1Q6L3C, ACMC-1AM44, Oprea1_534372, Oprea1_685889, SCHEMBL1843229, CTK4A6835, DTXSID40354711, JHKRQZQRGCCWOO-UHFFFAOYSA-N, ZINC272516, ALBB-010218, BBL009414, MFCD00462960, SBB010610, STK389035, AKOS000101250, MCULE-6685642771, AJ-18728, AK-56368, BAS 01047638, BS-13863, ST065706, ZB010053, AB0162613, BB 0217057, FT-0661746, FT-0692667, EN300-59698, W-7081, 5-Amino-1,3-dimethyl-1H-benzoimidazole-2(3H)-one, 5-amino-1,3-dimethyl-1,3-dihydrobenzimidazol-2-one, Z57834657, 2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-1,3-dimethyl-, 5-amino-1,3-dimethyl-1,3-dihydro-2H-1,3-benzimidazol-2-one, 8TD, AR-1G6999, CID779710, ZINC00272516, 53595-98-5,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.207g/mol
Monoisotopic Mass	177.09g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number